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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2017	SP_intradiol-product_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 Freq_TS45i_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5_TS56 Freq_TS56i_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5 Freq_step5i_M06_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_6 Freq_step6_M02_S12g	Angelone, Davide	ADF; 2013; 01	Single point Minimum	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 SP_TS45e_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_4 Freq_step4_M04_S12g	Angelone, Davide	ADF; 2014	Single point Minimum	DFT	TZ2P	-
4-Mar-2019	T_Cl_homo_wB97XD	Stanczak, Agnieszka	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UwB97XD	-	-3371.53456446; Eh
4-Mar-2019	T_Ph_wB97XD	Stanczak, Agnieszka	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	UwB97XD	-	-
22-Jul-2017	/L-N2Me2/STEP_4_TS45 Freq_TS45i_M06_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-

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